(Z)-3-phenyl-N-[2,2,2-trichloro-1-(4-nitrophenoxy)ethyl]prop-2-enamide

Formula:C17H13N2O4Cl3 Mutagenic:high Tumorigenic:low Reproductive Effective:high (Z)-3-phenyl-N-[2,2,2-trichloro-1-(4-nitrophenoxy)ethyl]prop-2-enamide is a drug-like molecule.

MolName	(Z)-3-phenyl-N-[2,2,2-trichloro-1-(4-nitrophenoxy)ethyl]prop-2-enamide
MolecularFormula	C17H13N2O4Cl3
Smiles	[O-][N+](c(cc1)ccc1OC(C(Cl)(Cl)Cl)NC(/C=C\c1ccccc1)=O)=O
InChI	InChI=1S/C17H13Cl3N2O4/c18-17(19,20)16(26-14-9-7-13(8-10-14)22(24)25)21-15(23)11-6-12-4-2-1-3-5-12/h1-11,16H,(H,21,23)/t16-/m0/s1
InChIK	QLTSWPBDCQQXQQ-INIZCTEOSA-N
TotalMolweight	415.659
Molweight	415.659
MonoisotopicMass	413.994089
CLogP	3.5945
CLogS	-5.223
H Acceptors	6
H Donors	1
TotalSurfaceArea	291.57
Relative PSA	0.22266
PolarSurfaceArea	84.15
Druglikeness	-4.8748
Mutagenic	high
Tumorigenic	low
Reproductive Effective	high
Irritant	high
Nasty Functions	aromatic nitro
Shape Index	0.61538
Fragments	1
Non HAtoms	26
NonCHAtoms	9
Electronegative Atoms	9
StereoCenters	1
Rotatable Bond	7
Rings Closures	2
Small Rings	2
Aromatic Rings	2
Aromatic Atoms	12
Sp3Atoms	4
Symmetricatoms	6
Amides	1
AcidicOxygens	1
StereoCon	racemate

Click to Load Molecule:

1 - (Z)-3-phenyl-N-[2,2,2-trichloro-1-(4-nitrophenoxy)ethyl]prop-2-enamide | 2 - (Z)-3-phenyl-N-[2,2,2-trichloro-1-(4-nitrophenoxy)ethyl]prop-2-enamide

Request More Details | (Z)-3-phenyl-N-[2,2,2-trichloro-1-(4-nitrophenoxy)ethyl]prop-2-enamide

SKU	Product Name	Product Unit	Qty	Supplier Email

User Name
User Email
Additional Comments